Open Rdk0 opened 10 months ago
RuntimeError Traceback (most recent call last) Cell In[2], line 2 1 from psikit import Psikit ----> 2 pk = Psikit() 3 pk.read_from_smiles("c1ccccc1") 4 print("SCF Energy: ", pk.energy())
File ~\miniconda3\envs\p4\lib\site-packages\psikit\psikit.py:32, in Psikit.init(self, threads, memory, debug) 30 self.psi4.core.set_output_file("psikit_out.dat", True) 31 else: ---> 32 self.psi4.core.be_quiet()
RuntimeError: Fatal Error: PsiOutStream: Failed to open file /dev/null. Error occurred in file: D:\a\1\s\psi4\src\psi4\libpsi4util\PsiOutStream.cc on line: 48
Please have a look at https://forum.psicode.org/t/fatal-error-psioutstream-failed-to-open-file/2572 I am trying to run psikit on win10 machine.
RuntimeError Traceback (most recent call last) Cell In[2], line 2 1 from psikit import Psikit ----> 2 pk = Psikit() 3 pk.read_from_smiles("c1ccccc1") 4 print("SCF Energy: ", pk.energy())
File ~\miniconda3\envs\p4\lib\site-packages\psikit\psikit.py:32, in Psikit.init(self, threads, memory, debug) 30 self.psi4.core.set_output_file("psikit_out.dat", True) 31 else: ---> 32 self.psi4.core.be_quiet()
RuntimeError: Fatal Error: PsiOutStream: Failed to open file /dev/null. Error occurred in file: D:\a\1\s\psi4\src\psi4\libpsi4util\PsiOutStream.cc on line: 48
Please have a look at https://forum.psicode.org/t/fatal-error-psioutstream-failed-to-open-file/2572 I am trying to run psikit on win10 machine.